1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine

C12H14ClN3 — CID 83896868

IUPAC1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc2c(cc1Cl)ncn2C1CC1
InChIInChI=1S/C12H14ClN3/c1-14-6-8-4-12-11(5-10(8)13)15-7-16(12)9-2-3-9/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyDIDLYFIUHLIDII-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.74
Rot. Bonds3

About 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine

1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine (PubChem CID 83896868) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine
PubChem CID83896868
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc2c(cc1Cl)ncn2C1CC1
InChIInChI=1S/C12H14ClN3/c1-14-6-8-4-12-11(5-10(8)13)15-7-16(12)9-2-3-9/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyDIDLYFIUHLIDII-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine (CID 83896868) is 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine is CNCc1cc2c(cc1Cl)ncn2C1CC1.
What is the InChIKey of 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine?
The InChIKey is DIDLYFIUHLIDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-14-6-8-4-12-11(5-10(8)13)15-7-16(12)9-2-3-9/h4-5,7,9,14H,2-3,6H2,1H3.
What are the key properties of 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine?
1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-cyclopropylbenzimidazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83896868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).